N-[(1S)-1-(1-adamantyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C26H36N2O5S/c1-17(26-14-18-10-19(15-26)12-20(11-18)16-26)27-25(29)21-4-6-28(7-5-21)34(30,31)22-2-3-23-24(13-22)33-9-8-32-23/h2-3,13,17-21H,4-12,14-16H2,1H3,(H,27,29)/t17-,18?,19?,20?,26?/m0/s1